src/selection/NameFinder.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
#ifndef SELECTION_NAMEFINDER_HPP
#define SELECTION_NAMEFINDER_HPP
#include <set>
#include <string>
#include <map>
#include "brains/SimInfo.hpp"
#include "utils/BitSet.hpp"
namespace oopse {

class TreeNode{
    public:
        ~TreeNode();
        std::string name;
        BitSet bs;
        std::map<std::string, TreeNode*> children;
};

class NameFinder{
    public:
        NameFinder(SimInfo* info);
        ~NameFinder();
        BitSet  match(const std::string& name);

    private:
        void loadNames();
        void matchMolecule(const std::string& molName, BitSet& bs);
        void matchStuntDouble(const std::string& molName, const std::string& sdName, BitSet& bs);
        void matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, BitSet& bs);

        void matchInternalIndex(const std::string& name, int internalIndex, BitSet& bs);

        TreeNode* createNode(TreeNode* parent, const std::string& name);
        std::vector<TreeNode*> getMatchedChildren(TreeNode* node, const std::string& name);
        bool isMatched(const std::string& str, const std::string& wildcard);

        bool isInteger(const std::string str);

        SimInfo* info_;
        int nStuntDouble_;
        TreeNode* root_;
};


}
#endif
Revision:	1987
Committed:	Mon Feb 7 22:36:32 2005 UTC (19 years, 5 months ago) by tim
File size:	3356 byte(s)
Log Message:	support select internal index selection, for example, select DMPC.3
#	User	Rev	Content
1	tim	1967	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41			#ifndef SELECTION_NAMEFINDER_HPP
42			#define SELECTION_NAMEFINDER_HPP
43			#include <set>
44			#include <string>
45	tim	1968	#include <map>
46	tim	1971	#include "brains/SimInfo.hpp"
47	tim	1967	#include "utils/BitSet.hpp"
48			namespace oopse {
49
50	tim	1968	class TreeNode{
51			public:
52			~TreeNode();
53			std::string name;
54			BitSet bs;
55			std::map<std::string, TreeNode*> children;
56	tim	1967	};
57
58			class NameFinder{
59			public:
60			NameFinder(SimInfo* info);
61	tim	1968	~NameFinder();
62	tim	1972	BitSet match(const std::string& name);
63	tim	1967
64			private:
65			void loadNames();
66	tim	1968	void matchMolecule(const std::string& molName, BitSet& bs);
67			void matchStuntDouble(const std::string& molName, const std::string& sdName, BitSet& bs);
68			void matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, BitSet& bs);
69
70	tim	1987	void matchInternalIndex(const std::string& name, int internalIndex, BitSet& bs);
71
72	tim	1972	TreeNode* createNode(TreeNode* parent, const std::string& name);
73	tim	1968	std::vector<TreeNode> getMatchedChildren(TreeNode node, const std::string& name);
74			bool isMatched(const std::string& str, const std::string& wildcard);
75
76	tim	1987	bool isInteger(const std::string str);
77
78	tim	1967	SimInfo* info_;
79	tim	1968	int nStuntDouble_;
80			TreeNode* root_;
81	tim	1967	};
82
83	tim	1968
84	tim	1967	}
85			#endif